VU0453595

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 525999

CAS#: 1432436-13-9

Description: VU0453595 is a novel M1 positive allosteric modulator (PAM), potential in schizophrenia.


Chemical Structure

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VU0453595
CAS# 1432436-13-9

Theoretical Analysis

MedKoo Cat#: 525999
Name: VU0453595
CAS#: 1432436-13-9
Chemical Formula: C18H15FN4O
Exact Mass: 322.123
Molecular Weight: 322.3434
Elemental Analysis: C, 67.07; H, 4.69; F, 5.89; N, 17.38; O, 4.96

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: VU0453595, VU-0453595, VU 0453595

IUPAC/Chemical Name: 6-[[2-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

InChi Key: LIZQOZALTSDKFU-UHFFFAOYSA-N

InChi Code: InChI=1S/C18H15FN4O/c1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-9H,10-11H2,1H3

SMILES Code: O=C1N(CC2=CC=C(C3=CN(C)N=C3)C=C2F)CC4=NC=CC=C41

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 322.3434 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Lv X, Dickerson JW, Rook JM, Lindsley CW, Conn PJ, Xiang Z. M(1) muscarinic activation induces long-lasting increase in intrinsic excitability of striatal projection neurons. Neuropharmacology. 2017 May 15;118:209-222. doi: 10.1016/j.neuropharm.2017.03.017. Epub 2017 Mar 20. PubMed PMID: 28336323.

2: Panarese JD, Cho HP, Adams JJ, Nance KD, Garcia-Barrantes PM, Chang S, Morrison RD, Blobaum AL, Niswender CM, Stauffer SR, Conn PJ, Lindsley CW. Further optimization of the M1 PAM VU0453595: Discovery of novel heterobicyclic core motifs with improved CNS penetration. Bioorg Med Chem Lett. 2016 Aug 1;26(15):3822-5. doi: 10.1016/j.bmcl.2016.04.083. Epub 2016 Apr 29. PubMed PMID: 27173801; PubMed Central PMCID: PMC5082649.

3: Ghoshal A, Rook JM, Dickerson JW, Roop GN, Morrison RD, Jalan-Sakrikar N, Lamsal A, Noetzel MJ, Poslusney MS, Wood MR, Melancon BJ, Stauffer SR, Xiang Z, Daniels JS, Niswender CM, Jones CK, Lindsley CW, Conn PJ. Potentiation of M1 Muscarinic Receptor Reverses Plasticity Deficits and Negative and Cognitive Symptoms in a Schizophrenia Mouse Model. Neuropsychopharmacology. 2016 Jan;41(2):598-610. doi: 10.1038/npp.2015.189. Epub 2015 Jun 25. PubMed PMID: 26108886; PubMed Central PMCID: PMC5130135.